![methyl [(4E)-1-(1,3-benzothiazol-2-yl)-4-{1-[(2-chlorobenzyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate structure](/static/products/5213/521327-95-7.webp)
methyl [(4E)-1-(1,3-benzothiazol-2-yl)-4-{1-[(2-chlorobenzyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
TL;DR: methyl [(4E)-1-(1,3-benzothiazol-2-yl)-4-{1-[(2-chlorobenzyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate (CAS 521327-95-7) is a chemical compound with molecular formula C22H19ClN4O3S and molecular weight 454.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-(1,3-benzothiazol-2-yl)-4-[N-[(2-chlorophenyl)methyl]-C-methylcarbonimidoyl]-3-oxo-1H-pyrazol-5-yl]acetate
Also Known As: methyl [(4E)-1-(1,3-benzothiazol-2-yl)-4-{1-[(2-chlorobenzyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate, (E)-methyl 2-(1-(benzo[d]thiazol-2-yl)-4-(1-((2-chlorobenzyl)amino)ethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate, METHYL 2-(1-(1,3-BENZOTHIAZOL-2-YL)-4-{(E)-1-[(2-CHLOROBENZYL)AMINO]ETHYLIDENE}-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-3-YL)ACETATE, methyl 2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-[(2-chlorophenyl)methylamino]ethylidene]-5-oxopyrazol-3-yl]acetate, methyl 2-[(4Z)-1-(1,3-benzothiazol-2-yl)-4-[1-[(2-chlorophenyl)methylamino]ethylidene]-5-oxopyrazol-3-yl]acetate
| Molecular Formula | C22H19ClN4O3S |
|---|---|
| Molecular Weight | 454.09 g/mol |
| LogP | 4.1534 |
| Topological Polar Surface Area | 89.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.08664 |
| Heavy Atoms | 31 |
| Complexity | 1319.302 |
Chemical Identifiers
| CAS Number | 521327-95-7 |
|---|---|
| SMILES | CC(=NCC1=CC=CC=C1Cl)C2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)CC(=O)OC |
Product Overview
methyl [(4E)-1-(1,3-benzothiazol-2-yl)-4-{1-[(2-chlorobenzyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate (CAS 521327-95-7), with molecular formula C22H19ClN4O3S and molecular weight 454.09 g/mol. IUPAC: methyl 2-[2-(1,3-benzothiazol-2-yl)-4-[N-[(2-chlorophenyl)methyl]-C-methylcarbonimidoyl]-3-oxo-1H-pyrazol-5-yl]acetate.
Chemical Property Profile of methyl [(4E)-1-(1,3-benzothiazol-2-yl)-4-{1-[(2-chlorobenzyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
Property Insights of methyl [(4E)-1-(1,3-benzothiazol-2-yl)-4-{1-[(2-chlorobenzyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
The XLogP value of 4.1534 indicates that methyl [(4E)-1-(1,3-benzothiazol-2-yl)-4-{1-[(2-chlorobenzyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.34 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl [(4E)-1-(1,3-benzothiazol-2-yl)-4-{1-[(2-chlorobenzyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate. Following Lipinski's Rule of Five, methyl [(4E)-1-(1,3-benzothiazol-2-yl)-4-{1-[(2-chlorobenzyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl [(4E)-1-(1,3-benzothiazol-2-yl)-4-{1-[(2-chlorobenzyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate?
The CAS number of methyl [(4E)-1-(1,3-benzothiazol-2-yl)-4-{1-[(2-chlorobenzyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate is 521327-95-7.
What is the molecular formula of methyl [(4E)-1-(1,3-benzothiazol-2-yl)-4-{1-[(2-chlorobenzyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate?
The molecular formula of methyl [(4E)-1-(1,3-benzothiazol-2-yl)-4-{1-[(2-chlorobenzyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate is C22H19ClN4O3S.
What is the molecular weight of methyl [(4E)-1-(1,3-benzothiazol-2-yl)-4-{1-[(2-chlorobenzyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate?
The molecular weight of methyl [(4E)-1-(1,3-benzothiazol-2-yl)-4-{1-[(2-chlorobenzyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate is 454.09 g/mol.
Where can I buy methyl [(4E)-1-(1,3-benzothiazol-2-yl)-4-{1-[(2-chlorobenzyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate?
You can request a quote for methyl [(4E)-1-(1,3-benzothiazol-2-yl)-4-{1-[(2-chlorobenzyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl [(4E)-1-(1,3-benzothiazol-2-yl)-4-{1-[(2-chlorobenzyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl [(4E)-1-(1,3-benzothiazol-2-yl)-4-{1-[(2-chlorobenzyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.